| 초록 |
Global warming has been accelerated due to the increase in emission of greenhouse gas, CO2, causing serious problems in environments and climates. Thus, the regulation on CO2 emission has been reinforced and utilization of CO2 has been studied. However, CO2 molecule is chemically and thermodynamically stable. Therefore, activation and conversion of CO2 to valuable products is attracting worldwide attention. Reverse water-gas shift (RWGS) reaction is one of the promising processes that utilizes CO2 to produce syngas, since the syngas can be converted into valuable carbon-based chemicals by Fischer-Tropsch process. CeO2-based catalysts showed high performance in RWGS duo to its oxygen mobility and re-oxidation of oxygen vacancy by CO2. Moreover, strong metal-support interaction (SMSI) between CeO2 and active metals induces high reduciblity of CeO2 and high dispersion of metals. In this study, we tried to investigate the mechanism of RWGS on CeO2-based catalysts using density functional theory (DFT) calculation. |
